ASE database

Displaying rows 76-31 out of 31
↓ ID ✕ Formula ✕ Calculator ✕ Energy ✕ Volume ✕ Maximum stress ✕ Maximum force ✕
76 C60H18 vasp -593.092 7647.030 0.000 0.043
77 C60H18 vasp -591.502 8000.000 0.000 0.009
78 C60H18 vasp -591.422 8000.000 0.000 0.008
79 C60H18 vasp -595.896 4460.351 0.001 0.767
80 C60H18 vasp -592.609 6489.651 0.001 0.416
81 C60H18 vasp -593.856 7194.553 0.000 0.184
82 C60H18 vasp -595.938 4737.470 0.001 0.780
83 C60H18 vasp -591.549 7734.188 0.000 0.033
84 C60H18 vasp -596.450 8000.000 0.000 0.010
85 C60H18 vasp -596.376 8000.000 0.000 0.009
86 C60H18 vasp -584.608 8000.000 0.000 0.010
87 C60H18 vasp -585.585 5779.407 0.001 0.593
88 C60H18 vasp -595.464 6958.384 0.000 0.173
89 C60H18 vasp -593.226 5132.158 0.002 0.842
90 C60H18 vasp -592.500 6187.233 0.000 0.884
91 C60H18 vasp -592.846 5553.211 0.002 0.848
92 C60H18 vasp -591.831 6867.605 0.000 0.308
93 C60H18 vasp -591.313 8000.000 0.000 0.007
94 C60H18 vasp -592.214 4925.757 0.001 0.467
95 C60H18 vasp -596.062 8000.000 0.000 0.007
96 C60H18 vasp -595.935 8000.000 0.000 0.009
97 C60H18 vasp -594.593 7004.397 0.000 0.344
98 C60H18 vasp -592.310 8000.000 0.000 0.008
99 C60H18 vasp -595.720 6119.199 0.000 0.622
100 C60H18 vasp -593.086 3833.608 0.001 0.876